Abstract
This paper has investigated the adsorption effect of boron nitride nanotube (BNNT) for CO, CO2, NO, NO2, NH3 and H2 molecules based on the first-principle calculations. The potential application of BNNT as highly sensitive gas sensor for CO2, NO, NO2 and NH3 molecules has also been demonstrated. CO2, NO, NO2 and NH3molecules chemically adsorb on BNNT with large adsorption energies due to strong chemical bonds. While CO and H2molecules adsorb weakly on BNNT with lower adsorption energy. The NO2, NH3, and H2molecules are found to donate charge to BNNTs, while CO, CO2 and NO molecules accept charge in the case of BNNTs. In addition, these calculations show that recovery time increases with the adsorption energy, but decreases with the increase of temperature.
Sign-in/Register to access full text options 
Free) 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
